1-[2-(3-bromo-5-fluorophenoxy)phenyl]propan-1-ol

C15H14BrFO2 — CID 112679142

IUPAC1-[2-(3-bromo-5-fluorophenoxy)phenyl]propan-1-ol
SMILESCCC(O)c1ccccc1Oc1cc(F)cc(Br)c1
InChIInChI=1S/C15H14BrFO2/c1-2-14(18)13-5-3-4-6-15(13)19-12-8-10(16)7-11(17)9-12/h3-9,14,18H,2H2,1H3
InChIKeyWDOFLFQVCXTNAW-UHFFFAOYSA-N
MW325.18 g/mol
LogP4.82
Rot. Bonds4

About 1-[2-(3-bromo-5-fluorophenoxy)phenyl]propan-1-ol

1-[2-(3-bromo-5-fluorophenoxy)phenyl]propan-1-ol (PubChem CID 112679142) has the molecular formula C15H14BrFO2 and a molecular weight of 325.18 g/mol. Its IUPAC name is 1-[2-(3-bromo-5-fluorophenoxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name1-[2-(3-bromo-5-fluorophenoxy)phenyl]propan-1-ol
PubChem CID112679142
Molecular FormulaC15H14BrFO2
Molecular Weight325.18 g/mol
Exact Mass324.02
IUPAC Name1-[2-(3-bromo-5-fluorophenoxy)phenyl]propan-1-ol
SMILESCCC(O)c1ccccc1Oc1cc(F)cc(Br)c1
InChIInChI=1S/C15H14BrFO2/c1-2-14(18)13-5-3-4-6-15(13)19-12-8-10(16)7-11(17)9-12/h3-9,14,18H,2H2,1H3
InChIKeyWDOFLFQVCXTNAW-UHFFFAOYSA-N
XLogP4.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.18
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[2-(2-bromophenoxy)phenyl]propan-1-ol
CID 113359072
[2-(3-bromo-5-fluorophenoxy)phenyl]methanol
CID 81331819
(1R)-1-[2-(4-ethoxyphenoxy)phenyl]propan-1-ol
CID 103960453
(1S)-1-[2-(2,5-dibromo-4-methoxyphenoxy)phenyl]propan-1-ol
CID 103960654
1-[2-(4-bromo-2-chlorophenoxy)phenyl]propan-1-ol
CID 112679109
(1R)-1-[2-(4-chloro-3-methylphenoxy)phenyl]propan-1-ol
CID 103960425
(1S)-1-[2-(3-fluoro-4-nitrophenoxy)phenyl]propan-1-ol
CID 103960599
(1S)-1-[2-(4-iodophenoxy)phenyl]propan-1-ol
CID 113359087
1-[2-(3-bromo-5-fluorophenoxy)-5-fluorophenyl]ethanamine
CID 81331401
(1R)-1-[2-(3-chloro-2-fluorophenoxy)phenyl]propan-1-ol
CID 104892698
1-[2-(3-bromo-5-fluorophenoxy)phenyl]propan-2-amine
CID 81325789
2-fluoro-4-[2-[(1S)-1-hydroxypropyl]phenoxy]benzonitrile
CID 103960657

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromo-5-fluorophenoxy)phenyl]propan-1-ol?
The IUPAC name of 1-[2-(3-bromo-5-fluorophenoxy)phenyl]propan-1-ol (CID 112679142) is 1-[2-(3-bromo-5-fluorophenoxy)phenyl]propan-1-ol.
What is the SMILES notation for 1-[2-(3-bromo-5-fluorophenoxy)phenyl]propan-1-ol?
The canonical SMILES for 1-[2-(3-bromo-5-fluorophenoxy)phenyl]propan-1-ol is CCC(O)c1ccccc1Oc1cc(F)cc(Br)c1.
What is the InChIKey of 1-[2-(3-bromo-5-fluorophenoxy)phenyl]propan-1-ol?
The InChIKey is WDOFLFQVCXTNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFO2/c1-2-14(18)13-5-3-4-6-15(13)19-12-8-10(16)7-11(17)9-12/h3-9,14,18H,2H2,1H3.
What are the key properties of 1-[2-(3-bromo-5-fluorophenoxy)phenyl]propan-1-ol?
1-[2-(3-bromo-5-fluorophenoxy)phenyl]propan-1-ol has a molecular weight of 325.18 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromo-5-fluorophenoxy)phenyl]propan-1-ol is sourced from PubChem (CID 112679142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).